0 B17R0.43 CCCCCCCCCCCCCCCC(=O)O HR123420 [0,0,0,0,0,0|0,0,0]=0 1 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] HR142269 [0,0,0,0,0,0|0,0,1]=1 2 B17R0.43 CCCCCCCCCCCCCCCC(C)C HR101499 [0,0,0,0,0,0|2,0,1]=3 3 B17R0.43 CCCCCCCCCCCCCCCC(O)=S HR126353 [0,0,0,0,0,0|0,1,0]=1 4 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl HR132503 [0,0,0,0,0,0|2,0,0]=2 5 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O HR115715 [0,0,0,0,0,0|0,0,2]=2 6 B16R0.274 CCCCCCCCCCCCCCC(=O)O HR142276 [1,0,0,0,0,0|0,0,0]=1 7 B16R0.274 CCCCCCCCCCCCCCN(C)C HR124664 [1,0,0,0,0,0|3,0,0]=4 8 B16R0.303 CCCCCCCCCCCCCCCC#N HR145628 [1,0,0,0,0,0|1,0,1]=3 9 B16R0.303 CCCCCCCCCCCCCCCC=O HR127530 [1,0,0,0,0,0|0,0,0]=1 10 B16R0.303 CCCCCCCCCCCCCCCCBr HR136093 [1,0,0,0,0,0|1,0,1]=3 11 B16R0.303 CCCCCCCCCCCCCCCCC HR133683 [1,0,0,0,0,0|1,0,1]=3 12 B16R0.303 CCCCCCCCCCCCCCCCCl HR123859 [1,0,0,0,0,0|1,0,1]=3 13 B16R0.303 CCCCCCCCCCCCCCCCI HR132348 [1,0,0,0,0,0|1,0,1]=3 14 B16R0.303 CCCCCCCCCCCCCCCCN HR132495 [1,0,0,0,0,0|1,0,1]=3 15 B16R0.303 CCCCCCCCCCCCCCCCO HR125172 [1,0,0,0,0,0|0,0,1]=2 16 B16R0.303 CCCCCCCCCCCCCCCCS HR125583 [1,0,0,0,0,0|0,1,1]=3 17 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br HR104511 [1,0,0,0,0,0|2,0,0]=3 18 B16R0.303 CCCCCCCCCCCCCCN=C=O HR107423 [1,0,0,0,0,0|1,0,1]=3 19 B16R0.303 CCCCCCCCCCCCNCCCN HR115783 [1,0,0,0,0,0|2,0,1]=4 20 B16R0.303 CCCCCCCCCCCCOCCCN HR127262 [1,0,0,0,0,0|2,0,1]=4 21 B16R0.303 CCCCCCCCNCCCCCCCC HR125406 [1,0,0,0,0,0|2,0,1]=4 22 B16R0.303 CCCCCCCCOCCCCCCCC HR101221 [1,0,0,0,0,0|2,0,1]=4 23 B16R0.303 CCCC\C=C\CCCCCCCCCC=O HR140248 [1,0,0,0,0,0|0,0,2]=3 24 B16R0.303 OCCCCCCCCCCCCCCCBr HR115790 [1,0,0,0,0,0|1,0,1]=3 25 B16R0.303 OCCCCCCCCCCCCCCCO HR108295 [1,0,0,0,0,0|1,0,1]=3 26 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC HR141321 [0,1,0,0,0,0|2,0,0]=3 27 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC HR122310 [0,1,0,0,0,0|0,0,0]=1 28 B18R0.171 CCCCCC\C=C\CCCCCCCC(=O)OC HR139556 [0,1,0,0,0,0|0,0,2]=3 29 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O HR112221 [0,1,0,0,0,0|0,0,0]=1 30 B18R0.176 CC(C)CCCCCCCCCCCCCCCO HR131813 [0,1,0,0,0,0|2,0,1]=4 31 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O HR141002 [0,1,0,0,0,0|0,0,0]=1 32 B18R0.176 CCCCCCCCCCCCCCCCN(C)C HR121683 [0,1,0,0,0,0|3,0,0]=4 33 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] HR141983 [0,1,0,0,0,0|2,0,1]=4 34 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O HR137443 [0,1,0,0,0,0|1,0,1]=3 35 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 HR101068 [0,0,0,1,0,0|0,0,2]=3 36 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 HR138706 [0,0,0,1,0,0|0,0,2]=3 37 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 HR128465 [0,0,0,1,0,0|1,0,0]=2 38 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 HR141691 [0,0,0,1,0,0|1,0,0]=2 39 B15R0.70 C=CCCCCCCCCCCCCCC HR133468 [2,0,0,0,0,0|0,0,1]=3 40 B15R0.70 CCCCCCCCCCCCCCCBr HR140226 [2,0,0,0,0,0|1,0,0]=3 41 B15R0.70 CCCCCCCCCCCCCCCC HR127826 [2,0,0,0,0,0|0,0,1]=3 42 B15R0.70 CCCCCCCCCCCCCCCO HR140325 [2,0,0,0,0,0|0,0,0]=2 43 B15R0.70 OCCCCCCCCCCCCCCBr HR123358 [2,0,0,0,0,0|1,0,0]=3 44 B15R0.70 OCCCCCCCCCCCCCCO HR110324 [2,0,0,0,0,0|1,0,0]=3 45 B15R0.164 CCCCCCCCCCCCCC(=O)O HR122478 [2,0,0,0,0,0|0,0,0]=2 46 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] HR120147 [2,0,0,0,0,0|0,0,1]=3 47 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] HR120467 [2,0,0,0,0,0|0,0,1]=3 48 B15R0.164 CCCCCCCCCCCCCC(C)=O HR117964 [2,0,0,0,0,0|1,0,0]=3 49 B15R0.164 CCCCCCCCCCCCOC(=O)Cl HR124177 [2,0,0,0,0,0|2,0,0]=4 50 B15R0.164 CCCCCCCCCCCOCC(=O)O HR148875 [2,0,0,0,0,0|1,0,0]=3 51 B17R0.195 C=CC(=O)OCCCCCCCCCCCCC HR107532 [1,1,0,0,0,0|2,0,0]=4 52 B17R0.195 CCCCCCCCCCCCCCC(=O)OC HR144511 [1,1,0,0,0,0|0,0,0]=2 53 B17R0.195 CCCCCCCCCCCCCCC(O)CO HR120321 [1,1,0,0,0,0|0,0,2]=4 54 B17R0.197 CCCCCCCCCCCCCOP(=O)(O)O HR143814 [1,1,0,0,0,0|2,0,0]=4 55 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)=O HR132442 [1,1,0,0,0,0|1,0,1]=4 56 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O HR127756 [1,1,0,0,0,0|0,0,0]=2 57 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O HR123923 [1,1,0,0,0,0|1,0,1]=4 58 B17R0.117 C=CCCCCCCCCCCCCCCCC HR132928 [1,1,0,0,0,0|1,0,0]=3 59 B17R0.117 CCCCCCCCCCCCCCCCCBr HR142660 [1,1,0,0,0,0|1,0,1]=4 60 B17R0.117 CCCCCCCCCCCCCCCCCC HR144500 [1,1,0,0,0,0|1,0,1]=4 61 B17R0.117 CCCCCCCCCCCCCCCCCN HR132868 [1,1,0,0,0,0|1,0,1]=4 62 B17R0.117 OCCCCCCCCCCCCCCCCBr HR123623 [1,1,0,0,0,0|0,0,1]=3 63 B19R0.21221 COC(=O)CCCCCCCCCCCCC(=O)OC HR124655 [0,2,0,0,0,0|1,0,1]=4 64 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC HR100510 [0,2,0,0,0,0|0,0,0]=2 65 B19R0.153 C=C(C)C(=O)OCCCCCCCCCCCCCC HR110437 [0,2,0,0,0,0|2,0,0]=4 66 B19R0.153 CCCCCCCCCCCCCCOC(=O)C(C)O HR145494 [0,2,0,0,0,0|1,0,0]=3 67 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC HR122578 [0,2,0,0,0,0|0,0,0]=2 68 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O HR140581 [0,2,0,0,0,0|0,0,0]=2 69 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O HR101908 [0,2,0,0,0,0|0,0,0]=2 70 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR138243 [0,2,0,0,0,0|0,0,0]=2 71 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR144324 [0,2,0,0,0,0|0,0,0]=2 72 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR145239 [0,2,0,0,0,0|0,0,0]=2 73 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O HR145575 [0,2,0,0,0,0|0,0,0]=2 74 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR101123 [0,2,0,0,0,0|0,0,1]=3 75 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR121517 [0,2,0,0,0,0|0,0,1]=3 76 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR123851 [0,2,0,0,0,0|0,0,1]=3 77 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR126815 [0,2,0,0,0,0|0,0,1]=3 78 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127083 [0,2,0,0,0,0|0,0,1]=3 79 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127344 [0,2,0,0,0,0|0,0,1]=3 80 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127622 [0,2,0,0,0,0|0,0,1]=3 81 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR127880 [0,2,0,0,0,0|0,0,1]=3 82 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR128152 [0,2,0,0,0,0|0,0,1]=3 83 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR128370 [0,2,0,0,0,0|0,0,1]=3 84 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR130513 [0,2,0,0,0,0|0,0,1]=3 85 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR133588 [0,2,0,0,0,0|0,0,1]=3 86 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR134479 [0,2,0,0,0,0|0,0,1]=3 87 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HR134542 [0,2,0,0,0,0|0,0,1]=3 88 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O HR137655 [0,2,0,0,0,0|1,0,0]=3 89 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl HR120714 [0,2,0,0,0,0|1,0,0]=3 90 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O HR100392 [0,2,0,0,0,0|1,0,0]=3 91 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl HR127025 [0,2,0,0,0,0|1,0,0]=3 92 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR127279 [0,2,0,0,0,0|0,0,0]=2 93 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR129510 [0,2,0,0,0,0|0,0,0]=2 94 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR130817 [0,2,0,0,0,0|0,0,0]=2 95 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR133708 [0,2,0,0,0,0|0,0,0]=2 96 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR144981 [0,2,0,0,0,0|0,0,0]=2 97 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O HR145622 [0,2,0,0,0,0|0,0,0]=2 98 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR100130 [0,2,0,0,0,0|0,0,1]=3 99 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR101056 [0,2,0,0,0,0|0,0,1]=3 100 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR126554 [0,2,0,0,0,0|0,0,1]=3 101 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR137911 [0,2,0,0,0,0|0,0,1]=3 102 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR139269 [0,2,0,0,0,0|0,0,1]=3 103 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] HR145559 [0,2,0,0,0,0|0,0,1]=3 104 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(N)=O HR137407 [0,2,0,0,0,0|1,0,0]=3 105 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(=O)O HR129427 [0,2,0,0,0,0|0,0,2]=4 106 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O HR126897 [0,2,0,0,0,0|0,0,2]=4 107 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)[O-] HR117302 [0,2,0,0,0,0|0,0,2]=4 108 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O HR124185 [0,2,0,0,0,0|0,0,1]=3 109 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl HR125222 [0,2,0,0,0,0|1,0,1]=4 110 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 HR131292 [1,0,0,1,0,0|1,0,0]=3 111 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 HR128198 [1,0,0,1,0,0|0,0,0]=2 112 B17R1.29093 CCCCCCCCCCCCCCC1CO1 HR101540 [1,0,0,1,0,0|1,0,1]=4 113 B17R1.5249 CCCCCCCCCCCCC1CCC1=O HR101042 [1,0,0,1,0,0|0,0,0]=2 114 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 HR100317 [0,1,0,1,0,0|1,0,1]=4 115 B19R1.46520 CCCCCCCCCCCCCCOCC1CO1 HR124711 [0,1,0,1,0,0|1,0,1]=4 116 B19R1.195866 O=C1CCCCCCCCCCCC(=O)OCCO1 HR135245 [0,1,0,1,0,0|1,0,1]=4